8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

C15H11BrN2O2 — CID 156822259

IUPAC8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CO)cnc2cc(-c3cccc(Br)c3)ccn12
InChIInChI=1S/C15H11BrN2O2/c16-13-3-1-2-10(6-13)11-4-5-18-14(7-11)17-8-12(9-19)15(18)20/h1-8,19H,9H2
InChIKeyRZUKCPBRDIRJBJ-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.62
Rot. Bonds2

About 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 156822259) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID156822259
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CO)cnc2cc(-c3cccc(Br)c3)ccn12
InChIInChI=1S/C15H11BrN2O2/c16-13-3-1-2-10(6-13)11-4-5-18-14(7-11)17-8-12(9-19)15(18)20/h1-8,19H,9H2
InChIKeyRZUKCPBRDIRJBJ-UHFFFAOYSA-N
XLogP2.62
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 156822259) is 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(CO)cnc2cc(-c3cccc(Br)c3)ccn12.
What is the InChIKey of 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RZUKCPBRDIRJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-13-3-1-2-10(6-13)11-4-5-18-14(7-11)17-8-12(9-19)15(18)20/h1-8,19H,9H2.
What are the key properties of 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 331.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromophenyl)-3-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 156822259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).